Citric Acid → HCID 178427957, compound
Reaction equation
[CH3:41][OH:42].[Cl:1][c:2]1[c:3]([CH3:40])[c:4](-[c:18]2[cH:19][c:20]([CH2:24][O:25][c:26]3[cH:27][c:28]4[c:29]([cH:38][cH:39]3)[CH:30]([CH2:33][C:34](=[O:35])[O:36][CH3:37])[CH2:31][O:32]4)[cH:21][cH:22][cH:23]2)[c:5]([CH3:17])[c:6]([Cl:16])[c:7]1[O:8][CH2:9][CH2:10][CH2:11][S:12](=[O:13])(=[O:14])[CH3:15].[Na+:44].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH-:43].[OH2:58].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[Cl:1][c:2]1[c:3]([CH3:40])[c:4](-[c:18]2[cH:19][c:20]([CH2:24][O:25][c:26]3[cH:27][c:28]4[c:29]([cH:38][cH:39]3)[CH:30]([CH2:33][C:34](=[O:35])[OH:36])[CH2:31][O:32]4)[cH:21][cH:22][cH:23]2)[c:5]([CH3:17])[c:6]([Cl:16])[c:7]1[O:8][CH2:9][CH2:10][CH2:11][S:12](=[O:13])(=[O:14])[CH3:15]Participants
8
Sources & evidence
- ORD record
- ord-1dabf663d93e4ffeb4866d9d061a303b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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